ChemSpider 2D Image | Benzyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate | C19H21NO4

Benzyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

  • Molecular FormulaC19H21NO4
  • Average mass327.374 Da
  • Monoisotopic mass327.147064 Da
  • ChemSpider ID21373391

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-6,7-Diméthoxy-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylate de benzyle [French] [ACD/IUPAC Name]
(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3-carboxylic acid benzyl ester
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, phenylmethyl ester, (3S)- [ACD/Index Name]
82586-59-2 [RN]
Benzyl (3S)-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
Benzyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Benzyl-(3S)-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
Phenylmethyl (3S)-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate
(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3
(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3 -carboxylic acid benzyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 473.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 240.0±28.7 °C
    Index of Refraction: 1.564
    Molar Refractivity: 90.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 1.48
    ACD/BCF (pH 5.5): 3.48
    ACD/KOC (pH 5.5): 32.61
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 74.38
    ACD/KOC (pH 7.4): 696.78
    Polar Surface Area: 57 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 278.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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